4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde

C24H20O7 — CID 73357056

IUPAC4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde
SMILESCOc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(C=O)cc4)c3oc2c1OC
InChIInChI=1S/C24H20O7/c1-27-16-10-9-15-21(26)20-18(29-3)11-17(28-2)19(14-7-5-13(12-25)6-8-14)24(20)31-22(15)23(16)30-4/h5-12H,1-4H3
InChIKeyYHSGZHIVYVAIRU-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.46
Rot. Bonds6

About 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde

4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde (PubChem CID 73357056) has the molecular formula C24H20O7 and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde
PubChem CID73357056
Molecular FormulaC24H20O7
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde
SMILESCOc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(C=O)cc4)c3oc2c1OC
InChIInChI=1S/C24H20O7/c1-27-16-10-9-15-21(26)20-18(29-3)11-17(28-2)19(14-7-5-13(12-25)6-8-14)24(20)31-22(15)23(16)30-4/h5-12H,1-4H3
InChIKeyYHSGZHIVYVAIRU-UHFFFAOYSA-N
XLogP4.46
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde?
The IUPAC name of 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde (CID 73357056) is 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde.
What is the SMILES notation for 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde?
The canonical SMILES for 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde is COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(C=O)cc4)c3oc2c1OC.
What is the InChIKey of 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde?
The InChIKey is YHSGZHIVYVAIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O7/c1-27-16-10-9-15-21(26)20-18(29-3)11-17(28-2)19(14-7-5-13(12-25)6-8-14)24(20)31-22(15)23(16)30-4/h5-12H,1-4H3.
What are the key properties of 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde?
4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde has a molecular weight of 420.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde is sourced from PubChem (CID 73357056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).